Vitas-M small molecule compound
2-phenylethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK042394
SMILES CN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H34N2O3 MW 458.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O3/c1-19-25(28(33)34-16-15-20-9-7-6-8-10-20)26(21-11-13-22(14-12-21)31(4)5)27-23(30-19)17-29(2,3)18-24(27)32/h6-14,26,30H,15-18H2,1-5H3InChIKey
BCKHTYRGNANSPX-UHFFFAOYSA-NSynonyms
2phenylethyl4(4(dimethylamino)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(4(dimethylamino)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)N(C)C)C(=O)OCCC4=CC=CC=C4
CN(c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCc1ccccc1)C
InChI=1SC29H34N2O3c11925(28(33)3416152097681020)26(21111322(141221)31(4)5)2723(3019)1729(23)1824(27)32h6142630H1518H215H3
MFCD02104412
STK042394
ZINC000001107189
ZINC000001107190
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